1,5,7-trimethyl-3-(2-phenylazetidine-1-carbonyl)pyrrolo[3,2-c]pyridin-4-one

C20H21N3O2 — CID 155351753

IUPAC1,5,7-trimethyl-3-(2-phenylazetidine-1-carbonyl)pyrrolo[3,2-c]pyridin-4-one
SMILESCc1cn(C)c(=O)c2c(C(=O)N3CCC3c3ccccc3)cn(C)c12
InChIInChI=1S/C20H21N3O2/c1-13-11-22(3)20(25)17-15(12-21(2)18(13)17)19(24)23-10-9-16(23)14-7-5-4-6-8-14/h4-8,11-12,16H,9-10H2,1-3H3
InChIKeyQRRQPLNYVDZBIC-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.77
Rot. Bonds2

About 1,5,7-trimethyl-3-(2-phenylazetidine-1-carbonyl)pyrrolo[3,2-c]pyridin-4-one

1,5,7-trimethyl-3-(2-phenylazetidine-1-carbonyl)pyrrolo[3,2-c]pyridin-4-one (PubChem CID 155351753) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1,5,7-trimethyl-3-(2-phenylazetidine-1-carbonyl)pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name1,5,7-trimethyl-3-(2-phenylazetidine-1-carbonyl)pyrrolo[3,2-c]pyridin-4-one
PubChem CID155351753
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1,5,7-trimethyl-3-(2-phenylazetidine-1-carbonyl)pyrrolo[3,2-c]pyridin-4-one
SMILESCc1cn(C)c(=O)c2c(C(=O)N3CCC3c3ccccc3)cn(C)c12
InChIInChI=1S/C20H21N3O2/c1-13-11-22(3)20(25)17-15(12-21(2)18(13)17)19(24)23-10-9-16(23)14-7-5-4-6-8-14/h4-8,11-12,16H,9-10H2,1-3H3
InChIKeyQRRQPLNYVDZBIC-UHFFFAOYSA-N
XLogP2.77
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-benzylpiperidine-1-carbonyl)-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one
CID 155351853
1,5,7-trimethyl-4-oxo-N-[(2R)-2-phenylcyclopentyl]pyrrolo[3,2-c]pyridine-3-carboxamide
CID 155372604
1,5,7-trimethyl-3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrrolo[3,2-c]pyridin-4-one
CID 155351702
3-[3-(difluoromethoxy)azetidine-1-carbonyl]-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one
CID 155351898
3-[2-(4-methoxyphenyl)piperidine-1-carbonyl]-5,7-dimethyl-1H-pyrrolo[3,2-c]pyridin-4-one
CID 155372601
(2-amino-3-methylphenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 43575411
1,5,7-trimethyl-3-[1-(3-methylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyrrolo[3,2-c]pyridin-4-one
CID 155351745
6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 86768761
(2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 43824710
[2-(methylamino)phenyl]-(2-phenylpyrrolidin-1-yl)methanone
CID 61376485
2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzamide
CID 141321340
6-methyl-3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-1H-pyridin-2-one
CID 95976202

Frequently Asked Questions

What is the IUPAC name of 1,5,7-trimethyl-3-(2-phenylazetidine-1-carbonyl)pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 1,5,7-trimethyl-3-(2-phenylazetidine-1-carbonyl)pyrrolo[3,2-c]pyridin-4-one (CID 155351753) is 1,5,7-trimethyl-3-(2-phenylazetidine-1-carbonyl)pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 1,5,7-trimethyl-3-(2-phenylazetidine-1-carbonyl)pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 1,5,7-trimethyl-3-(2-phenylazetidine-1-carbonyl)pyrrolo[3,2-c]pyridin-4-one is Cc1cn(C)c(=O)c2c(C(=O)N3CCC3c3ccccc3)cn(C)c12.
What is the InChIKey of 1,5,7-trimethyl-3-(2-phenylazetidine-1-carbonyl)pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is QRRQPLNYVDZBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-11-22(3)20(25)17-15(12-21(2)18(13)17)19(24)23-10-9-16(23)14-7-5-4-6-8-14/h4-8,11-12,16H,9-10H2,1-3H3.
What are the key properties of 1,5,7-trimethyl-3-(2-phenylazetidine-1-carbonyl)pyrrolo[3,2-c]pyridin-4-one?
1,5,7-trimethyl-3-(2-phenylazetidine-1-carbonyl)pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 335.41 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,7-trimethyl-3-(2-phenylazetidine-1-carbonyl)pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 155351753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).